Benzonitrile Bzn

Total Page:16

File Type:pdf, Size:1020Kb

Benzonitrile Bzn BENZONITRILE BZN CAUTIONARY RESPONSE INFORMATION 4. FIRE HAZARDS 7. SHIPPING INFORMATION 4.1 Flash Point: 167°F C.C. 7.1 Grades of Purity: Pure, 99+% Common Synonyms Liquid Colorless Almond-like odor 4.2 Flammable Limits in Air: Currently not 7.2 Storage Temperature: Ambient Benzoic acid nitrile available Cyanobenzene 7.3 Inert Atmosphere: Ventilated (natural) 4.3 Fire Extinguishing Agents: Foam, dry Phenylcyanide May float or sink in water. 7.4 Venting: Open (flame arrester) chemical, carbon dioxide 4.4 Fire Extinguishing Agents Not to Be 7.5 IMO Pollution Category: Currently not available KEEP PEOPLE AWAY. AVOID CONTACT WITH LIQUID AND VAPOR. Used: Water may be ineffective. 7.6 Ship Type: Currently not available Call fire department. Notify local health and pollution control agencies. 4.5 Special Hazards of Combustion 7.7 Barge Hull Type: Currently not available Protect water intakes. Products: Toxic hydrogen cyanide and oxides of nitrogen may form in fire. 8. HAZARD CLASSIFICATIONS Combustible. 4.6 Behavior in Fire: Currently not available Fire POISONOUS GASES MAY BE PRODUCED IN FIRE. 4.7 Auto Ignition Temperature: Currently not 8.1 49 CFR Category: Poison Wear goggles and self-contained breathing apparatus. available 8.2 49 CFR Class: 6.1 Extinguish with dry chemicals, foam, or carbon dioxide. 4.8 Electrical Hazards: Currently not 8.3 49 CFR Package Group: II Water may be ineffective on fire. available Cool exposed containers with water. 8.4 Marine Pollutant: No 4.9 Burning Rate: Difficult to burn 8.5 NFPA Hazard Classification: Not listed CALL FOR MEDICAL AID. 4.10 Adiabatic Flame Temperature: Currently 8.6 EPA Reportable Quantity: 5000 pounds Exposure not available 8.7 EPA Pollution Category: D VAPOR 4.11 Stoichometric Air to Fuel Ratio: 44.0 Irritating to eyes, nose and throat. (calc.) 8.8 RCRA Waste Number: Not listed If inhaled will cause headache, difficult breathing or loss of consciousness. 4.12 Flame Temperature: Currently not 8.9 EPA FWPCA List: Yes If in eyes, hold eyelids open and flush with plenty of water. available If breathing has stopped, give artificial respiration. 4.13 Combustion Molar Ratio (Reactant to 9. PHYSICAL & CHEMICAL PROPERTIES If breathing is difficult, give oxygen. Product): 10.5 (calc.) 9.1 Physical State at 15° C and 1 atm: Liquid LIQUID 4.14 Minimum Oxygen Concentration for Irritating to skin and eyes. Combustion (MOCC): Not listed 9.2 Molecular Weight: 103.12 If swallowed will cause headache, nausea, vomiting or loss of consciousness. 9.3 Boiling Point at 1 atm: 376°F = 191°C = Remove contaminated clothing and shoes. 5. CHEMICAL REACTIVITY 464°K Flush affected areas with plenty of water. 9.4 Freezing Point: 9.0°F = –12.8°C = 260.4°K IF IN EYES, hold eyelids open and flush with plenty of water. 5.1 Reactivity with Water: No reaction IF SWALLOWED and victim is CONSCIOUS, have victim drink water 9.5 Critical Temperature: 799.2°F = 426.2°C = 5.2 Reactivity with Common Materials: Will 699.4°K or milk. attack some plastics IF SWALLOWED and victim is UNCONSCIOUS OR HAVING CONVULSIONS, 9.6 Critical Pressure: 611 psia = 41.6 atm = 4.22 5.3 Stability During Transport: Stable 2 do nothing except keep victim warm. MN/ 5.4 Neutralizing Agents for Acids and 9.7 Specific Gravity: 1.01 at 25°C (liquid) Effect of low concentrations on aquatic life is unknown. Caustics: Not pertinent Water May be dangerous if it enters water intakes. 5.5 Polymerization: Not pertinent 9.8 Liquid Surface Tension: 34.7 dynes/cm = 0.0347 N/m at 25°C Pollution Notify local health and wildlife officials. 5.6 Inhibitor of Polymerization: Not pertinent Notify operators of nearby water intakes. 9.9 Liquid Water Interfacial Tension: Currently not available 6. WATER POLLUTION 9.10 Vapor (Gas) Specific Gravity: 3.6 6.1 Aquatic Toxicity: 9.11 Ratio of Specific Heats of Vapor (Gas): 1. CORRECTIVE RESPONSE ACTIONS 2. CHEMICAL DESIGNATIONS 5 ppm/24 hr/rainbow trout/no effect/ fresh 1.091 water Stop discharge 2.1 CG Compatibility Group: Not listed. 9.12 Latent Heat of Vaporization: 157.7 Btu/lb = Contain 135 ppm/96 hr/fathead minnow/TLm/soft 87.6 cal/g = 3.67 X 105 J/kg 2.2 Formula: C6H5CN fresh water Collection Systems: Skim; Pump; 2.3 IMO/UN Designation: Not listed 9.13 Heat of Combustion: –15,100 Btu/lb = m Dredge 78 ppm/96 hr/fathead minnow/TL /hard 5 2.4 DOT ID No.: 2224 fresh water –8,400 cal/g = –351 X 10 J/kg Chemical and Physical Treatment: 2.5 CAS Registry No.: 100-47-0 Absorb 6.2 Waterfowl Toxicity: Currently not 9.14 Heat of Decomposition: Currently not 2.6 NAERG Guide No.: 152 available 2.7 Standard Industrial Trade Classification: available 51484 6.3 Biological Oxygen Demand (BOD): 60% 9.15 Heat of Solution: Currently not available (theo.), 18 days 9.16 Heat of Polymerization: Currently not 3. HEALTH HAZARDS 6.4 Food Chain Concentration Potential: available 3.1 Personal Protective Equipment: Rubber gloves; splash-proof goggles; rubber boots or rubber None 9.17 Heat of Fusion: Currently not available overshoes; impervious clothing for splash protection; cartridge-type mask or other protection 6.5 GESAMP Hazard Profile: Not listed. 9.18 Limiting Value: Currently not available against vapor must be worn for working in poorly ventilated area or where poisoning by inhalation may be possible. 9.19 Reid Vapor Pressure: Currently not available 3.2 Symptoms Following Exposure: Benzonitrile may enter the human body by ingestion, absorption through the skin, or inhalation. The earliest symptoms of cyano compound intoxication may be weakness, headaches, confusion, and occasionally nausea and vomiting. The respiratory rate NOTES and depth will usually be increased at the beginning and at later stages become slow and gasping. Blood pressure is usually normal, especially in the mild or moderately severe cases, although the pulse rate is usually more rapid than normal. 3.3 Treatment of Exposure: INHALATION: remove patient to fresh air; get immediate medical attention. INGESTION: Call physician immediately. Until physician arrives, take the following steps: a. Provide for inhalation of amyl nitrite vapor from ampules crushed in a handkerchief and held to the nose of the victim. b. Induce vomiting unless patient is unconscious. (Gastric lavage should be employed by, or under the supervision of, a physician.) c. Keep patient warm and quiet until medical attention arrives. EYES: immediately flush with large volumes of water for at least 15 min. SKIN: wash thoroughly at once, without scrubbing, with large amounts of soap and water. OTHER: exposed personnel should be checked periodically for chronic toxic effects. 3.4 TLV-TWA: Not listed. 3.5 TLV-STEL: Not listed. 3.6 TLV-Ceiling: 5 mg/m3 as cyanide. 3.7 Toxicity by Ingestion: Grade 2; oral rat LD50 = 800 mg/kg 3.8 Toxicity by Inhalation: Currently not available. 3.9 Chronic Toxicity: Currently not available 3.10 Vapor (Gas) Irritant Characteristics: Currently not available 3.11 Liquid or Solid Characteristics: Currently not available 3.12 Odor Threshold: Currently not available 3.13 IDLH Value: 25 mg/m3 as CN 3.14 OSHA PEL-TWA: 5 mg/m3 as cyanide. 3.15 OSHA PEL-STEL: Not listed. 3.16 OSHA PEL-Ceiling: Not listed. 3.17 EPA AEGL: Not listed JUNE 1999 BENZONITRILE BZN 9.20 9.21 9.22 9.23 SATURATED LIQUID DENSITY LIQUID HEAT CAPACITY LIQUID THERMAL CONDUCTIVITY LIQUID VISCOSITY Temperature Pounds per cubic foot Temperature British thermal unit per Temperature British thermal unit inch Temperature Centipoise (degrees F) (degrees F) pound-F (degrees F) per hour-square foot-F (degrees F) 35 64.200 55 0.440 75 1.031 77 1.250 40 64.049 60 0.440 80 1.027 45 63.900 65 0.440 85 1.022 50 63.750 70 0.440 90 1.017 55 63.590 75 0.440 95 1.013 60 63.440 80 0.440 100 1.008 65 63.290 85 0.440 105 1.003 70 63.130 90 0.440 110 0.999 75 62.980 95 0.440 115 0.994 80 62.830 100 0.440 120 0.989 85 62.680 105 0.440 125 0.984 90 62.520 110 0.440 130 0.980 95 62.370 115 0.440 135 0.975 100 62.220 120 0.440 140 0.970 125 0.440 145 0.966 130 0.440 150 0.961 135 0.440 155 0.956 140 0.440 160 0.952 165 0.947 170 0.942 175 0.938 180 0.933 185 0.928 190 0.924 195 0.919 200 0.914 9.24 9.25 9.26 9.27 SOLUBILITY IN WATER SATURATED VAPOR PRESSURE SATURATED VAPOR DENSITY IDEAL GAS HEAT CAPACITY Temperature Pounds per 100 pounds Temperature Pounds per square inch Temperature Pounds per cubic foot Temperature British thermal unit per (degrees F) of water (degrees F) (degrees F) (degrees F) pound-F I 110 0.050 110 0.00084 0 0.202 N 120 0.068 120 0.00112 20 0.211 S 130 0.091 130 0.00149 40 0.220 O 140 0.122 140 0.00195 60 0.228 L 150 0.161 150 0.00253 80 0.236 U 160 0.211 160 0.00326 100 0.244 B 170 0.273 170 0.00417 120 0.252 L 180 0.352 180 0.00528 140 0.260 E 190 0.449 190 0.00664 160 0.267 200 0.569 200 0.00829 180 0.275 210 0.716 210 0.01028 200 0.282 220 0.896 220 0.01266 220 0.289 230 1.113 230 0.01550 240 0.296 240 1.374 240 0.01886 260 0.303 250 1.685 250 0.02281 280 0.310 260 2.056 260 0.02745 300 0.316 270 2.496 270 0.03286 320 0.323 280 3.013 280 0.03913 340 0.329 290 3.619 290 0.04637 360 0.335 300 4.325 300 0.05470 380 0.341 310 5.146 310 0.06423 400 0.347 320 6.096 320 0.07511 420 0.353 330 7.190 330 0.08746 440 0.358 340 8.445 340 0.10140 350 9.880 350 0.11720 360 11.510 360 0.13500 JUNE 1999.
Recommended publications
  • NIPPON SHOKUBAI Company Profile
    COMPANY PROFILE Osaka Office Kogin Bldg., 4-1-1 Koraibashi, Chuo-ku, Osaka 541-0043, Japan TEL +81-6-6223-9111 FAX +81-6-6201-3716 Tokyo Office Hibiya Dai Bldg., 1-2-2 Uchisaiwai-cho, Chiyoda-ku, Tokyo 100-0011, Japan TEL +81-3-3506-7475 FAX +81-3-3506-7598 https://www.shokubai.co.jp/en/ 2021.6.2000 Nippon Shokubai Group Mission Management Commitment We are deeply dedicated to humanity and the innate human values of sincerity We conduct all of our corporate and honesty. We respect the unique traits and worldview of each individual, embracing diversity and working to promote mutual understanding and trust. activities based upon a deep We recognize that it is the human spirit and point of view that shape our respect for humanity. understanding of management and our actions. A deep respect for humanity is Providing affluence and comfort to people and society, the foundation for all of our corporate activities. with our unique technology We aim at coexisting with We work to create sustainable societies. We believe it is our corporate social society, and working in responsibility to develop positive relationships with all of our stakeholders, as harmony with the environment. well as with the global environment. We pursue technologies We deliver new value that benefits people and society and are dedicated to working as a unified team to develop technology that will open the door to Corporate Credo that will create the future. the future. Safety takes priority over production. By working to expand our business worldwide, we aim to realize our We act on the global stage.
    [Show full text]
  • United States Patent Office Patented Nov
    3,065,250 United States Patent Office Patented Nov. 20, 1962 i 2 3,065,250 stable in air, becoming brown immediately upon contact NTRLE-METAL CARBONY, COMPLEXES with air. Dewey R. Levering, Wilisagton, Rel, assignor to Her A sample of the product was analyzed under an inert cales Powder Company, Winnington, Del, a corpora atmosphere for percent carbon, hydrogen, nitrogen and tio of Delaware molybdenum. The results of the analysis compared with No Brawing. Filled May 13, 1960, Ser. No. 28,841 the theoretical percentages for (CH3CN)Mo(CO)3 are 26 Caistas. (C. 260-429) tabulated below. The present invention relates to new and useful nitrile metal carbonyl complexes and to the method of their 10 Found ''neory preparation. More specifically, the invention relates to Percent C------------------------------------- 35.4 35.56 nitrile-metal carbonyl complexes where the metal is a Percent H. 2.4 3.0 group VI-B metal (chromium, molybdenum or tungsten) Percent N- 12.35 13.92 according to the periodic system (see Lange's Handbook Percent Mo- 32.6 31.65 of Chemistry, eighth edition, pages 56–57, 1952). Some hydrogen cyanide-metal carbonyl complexes have 5 The product was identified as (CH3CN)Mo(CO)3 been reported. However, complexes of hydrogen cyanide which is in agreement with the evolution of three moles and a group VI-B metal carbonyl have never been re of carbon monoxide per mole of molybdenum carbonyl. ported, and attempts to prepare them have been unsuc The product was insoluble in benzene, carbon tetra cessful. The present invention is based on the unforeseen 20 chloride, and water; somewhat soluble in methanol; and discovery that nitriles undergo a general reaction with soluble in acetonitrile, ethylene glycol dimethyl ether, group VI-B metal carbonyls to form new and useful tetrahydrofuran and dimethylformamide.
    [Show full text]
  • Benzonitrile, 97% MSDS# 98615 Section 1
    Material Safety Data Sheet 3,5-Bis(trifluoromethyl)benzonitrile, 97% MSDS# 98615 Section 1 - Chemical Product and Company Identification MSDS Name: 3,5-Bis(trifluoromethyl)benzonitrile, 97% Catalog Numbers: AC311750000, AC311750010 Synonyms: Acros Organics BVBA Company Identification: Janssen Pharmaceuticalaan 3a 2440 Geel, Belgium Acros Organics Company Identification: (USA) One Reagent Lane Fair Lawn, NJ 07410 For information in the US, call: 800-ACROS-01 For information in Europe, call: +32 14 57 52 11 Emergency Number, Europe: +32 14 57 52 99 Emergency Number US: 201-796-7100 CHEMTREC Phone Number, US: 800-424-9300 CHEMTREC Phone Number, Europe: 703-527-3887 Section 2 - Composition, Information on Ingredients ---------------------------------------- CAS#: 27126-93-8 Chemical Name: 3,5-Bis(trifluoromethyl)benzonitrile %: 97 EINECS#: 248-240-7 ---------------------------------------- Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - Hazards Identification EMERGENCY OVERVIEW Warning! Combustible liquid and vapor. Harmful if swallowed, inhaled, or absorbed through the skin. Target Organs: No data found. Potential Health Effects Eye: May cause eye irritation. Skin: No information regarding skin irritation and other potential effects was found. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: Section 4 - First Aid Measures Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get Eyes: medical aid immediately. Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing Skin: contaminated clothing and shoes. If victim is conscious and alert, give 2-4 cupfuls of milk or water.
    [Show full text]
  • Selective Reduction of Aromatic Nitriles to Aldehydes by Lithium Diisobutylpiperidinohydroaluminate (LDBPA)
    Notes Bull. Korean Chem. Soc. 2006, Vol. 27, No. 1 121 Selective Reduction of Aromatic Nitriles to Aldehydes by Lithium Diisobutylpiperidinohydroaluminate (LDBPA) Ji Hyun Ha, Jin Hee Ahn; and Duk Keun An* Department of Chemistry, Kangwon National University, Chuncheon 200-701, Korea. *E-mail: dkan@kangwon. ac. kr ^Medicinal Science Division, Korea Research Institute of Chemical Technology, Yusung, Daejeon 305-600, Korea Received October 24, 2005 Key Words : Lithium diisobutylpiperidinohydroaluminate (LDBPA), Diisobutylaluminium hydride (DIBAH), Aldehyde, Nitriles, Piperidine Partial reduction of nitriles into aldehyde is one of the As a part of our research program directed toward the most important and highly desirable means in organic discovery of new reducing agents through the simple synthesis, and a large number of reducing agents for this modification of commercial DIBAH (Scheme 1), we applied have been reported.1 Among them, a commercially available this reagent for the partial reduction of nitriles to aldehydes. diisobutylaluminium hydride (DIBAH)11 is commonly used We first examined partial reduction of benzonitrile and for the preparation of aldehydes from both aromatic and capronitrile with 1 in THF at 0 °C. The reduction of aliphatic nitriles, although the reagent provides moderate benzonitrile provided benzaldehyde in quantitative yield in 1 yields (48-90%). It has been also reported that other several h. Using the same methodology, the partial reduction of reducing agents such as potassium 9-5,ec-amyl-9-borata- other aromatic and aliphatic nitriles to the corresponding cycl이 3.3.1]nonane (K-9-.vec-Am-9-BBNH),lf lithium tris- aldehydes was carried out. As shown in Table 1, aromatic (dihexylamino)alummium hydride (LTDHA)lg and lithium benzonitriles, such as 1 -cyanonaphthalene, chlorobenzo­ JV;JV-dimethylethylenediammoalummium hydride (LDME- nitriles, toluonitriles and methoxybenzonitriles were smooth­ DAH)lk reduce chemoselectively nitriles to aldehydes.
    [Show full text]
  • Electronically Excited States of Closed-Shell, Cyano-Functionalized Polycyclic Aromatic Hydrocarbon Anions
    Article Electronically Excited States of Closed-Shell, Cyano-Functionalized Polycyclic Aromatic Hydrocarbon Anions Taylor J. Santaloci and Ryan C. Fortenberry * Department of Chemistry & Biochemistry, University of Mississippi, University, MS 38677-1848, USA; [email protected] * Correspondence: [email protected] Abstract: Few anions exhibit electronically excited states, and, if they do, the one or two possi- ble excitations typically transpire beyond the visible spectrum into the near-infrared. These few, red-shifted electronic absorption features make anions tantalizing candidates as carriers of the dif- fuse interstellar bands (DIBs), a series of mostly unknown, astronomically ubiquitous absorption features documented for over a century. The recent interstellar detection of benzonitrile implies that cyano-functionalized polycyclic aromatic hydrocarbon (PAH) anions may be present in space. The presently reported quantum chemical work explores the electronic properties of deprotonated benzene, naphthalene, and anthracene anions functionalized with a single cyano group. Both the absorption and emission properties of the electronically excited states are explored. The findings show that the larger anions absorption and emission energies possess both valence and dipole bound excitations in the 450–900 nm range with oscillator strengths for both types of >1 × 10−4. The valence and dipole bound excited state transitions will produce slightly altered substructure from one another making them appear to originate with different molecules. The known interstellar presence of related molecules, the two differing natures of the excited states for each, and the wavelength range of peaks for these cyano-functionalized PAH anions are coincident with DIB properties. Finally, the methods Citation: Santaloci, T.J.; Fortenberry, utilized appear to be able to predict the presence of dipole-bound excited states to within a 1.0 meV R.C.
    [Show full text]
  • Application of a Hydrogenation Catalyst Modified by Formaldehyde
    Application of a hydrogenation catalyst modified by formaldehyde O. G. Degischer1, R. Novi1,2, F. Roessler2, P. Rys1 1ETH Zurich Hoenggerberg, 8093 Zurich, Switzerland. 2Roche Vitamines Ltd, Bldg 214 Room 8, 4303 Kaiseraugst, Switzerland. Introduction The hydrogenation of nitriles is an important method for the industrial production of primary amines. Normally, the product mixture contains primary, secondary and tertiary amines, as well as traces of amides and alcohols. A general reaction scheme for the hydrogenation of nitriles to the primary and secondary amines is shown in figure 1. The selectivity of the nitrile hydrogenation depends on several factors: the nature of the individual catalyst, the solvent and additives such as ammonia, alkali hydroxides, etc. In addition, the selectivity can also be influenced by conditions such as pressure and temperature. A recently published patent1 describes the modification of Raney catalysts with formaldehyde. Compared to reactions with unmodified catalysts, those run with catalysts modified by formaldehyde show an increased selectivity in favour of the formation of primary amines. N H2 H2 NH R NH R R 2 A BC R NH2 NH2 R N R H D - NH3 H2 R N R R N R H E F Figure 1. Reaction scheme for the hydrogenation of nitriles leading to primary and secondary amines. Results and discussion The hydrogenation of aromatic nitriles was investigated using commercial Raney nickel catalysts, either unmodified or modified by formaldehyde, with benzonitrile as a model compound and methanol as the solvent. After the modification with formaldehyde the activity of the catalyst decreases, whereas the selectivity towards primary amine formation increases, both in the absence as well as the presence of ammonia (table 1).
    [Show full text]
  • Abstract Cold and Dense Samples of Naphthalene (C10H8) Are Produced
    Abstract Cold and dense samples of naphthalene (C10H8) are produced using bu®er gas cooling in combination with rapid, high flow molecule injection. The observed naphthalene density is n ¼ 1011 cm¡3 over a volume of a few cm3 at a temperature of 6 K. We observe naphthalene-naphthalene collisions through two-body loss of naphthalene with a loss cross section ¡14 2 of σN ¡N = 1:4£10 cm . Analysis is presented that indicates that this combination of techniques will be applicable to many comparably sized molecules. This technique can also be combined with cryogenic beam methods 1 to produce cold, high flux, continuous molecular beams. 1 Cooling and Collisions of Large Gas Phase Molecules David Patterson, Edem Tsikata, and John M. Doyle February 5, 2010 1 Introduction Driven by a variety of new science, including cold chemistry and dipolar quan- tum gases, several methods are now being pursued to produce cold and ultracold samples of molecules. The cold molecules in these studies are generally diatomic 2 but also include few-atom molecules such as ND3. Extending this work to the cooling of larger molecules is of high interest, as reviewed by Meijer et. al. 3 and references therein. For example, chemical reaction rates at low temperatures are of great current interest, and extending these studies to important large molecules is essential. Similarly, ultraprecise spectroscopy applications could make use of new continuous cryogenic molecular beams. Finally, there is great interest in ¯eld mediated chemistry, and a general source of high density, highly polarizable ground state molecules is an excellent testbed for observing ¯eld mediated chemical reactions.
    [Show full text]
  • 1,3-Dipolar Cycloadditions of Nitrones and Nitrile Oxides. Yau-Min Chang Louisiana State University and Agricultural & Mechanical College
    Louisiana State University LSU Digital Commons LSU Historical Dissertations and Theses Graduate School 1975 1,3-Dipolar Cycloadditions of Nitrones and Nitrile Oxides. Yau-min Chang Louisiana State University and Agricultural & Mechanical College Follow this and additional works at: https://digitalcommons.lsu.edu/gradschool_disstheses Recommended Citation Chang, Yau-min, "1,3-Dipolar Cycloadditions of Nitrones and Nitrile Oxides." (1975). LSU Historical Dissertations and Theses. 2865. https://digitalcommons.lsu.edu/gradschool_disstheses/2865 This Dissertation is brought to you for free and open access by the Graduate School at LSU Digital Commons. It has been accepted for inclusion in LSU Historical Dissertations and Theses by an authorized administrator of LSU Digital Commons. For more information, please contact [email protected]. INFORMATION TO USERS This material was produced from a microfilm copy of the original document. While the most advanced technological means to photograph and reproduce this document have been used, the quality is heavily dependent upon the quality of the original submitted. The following explanation of techniques is provided to help you understand markings or patterns which may appear on this reproduction. 1. The sign or "target" for pages apparently lacking from the document photographed is "Missing Page(s)". If it was possible to obtain the missing page(s) or section, they are spliced into the film along with adjacent pages. This may have necessitated cutting thru an image and duplicating adjacent pages to insure you complete continuity. 2. When an image on the film is obliterated with a large round black mark, it is an indication that the photographer suspected that the copy may have moved during exposure and thus cause a blurred image.
    [Show full text]
  • Note Preparation Ofbenzonitrile from Methyl Benzoate and Ammonia
    Indian Journal of Chemical Technology Vol. 5, May 1998, pp. 172-174 • Note Preparation ofbenzonitrile from methyl zonitrile from methyl benzoate which is formed as benzoate and ammonia catalyzed by a by-product during oxidation of Cg cut of naphtha niobium phosphatet to dimethyl terephthalate (DMT) in petrochemical Industry. Anil Wali, S Unnikrishnan, S Muthukumaru Pillai '" & S Satish Experimental Procedure Research Centre, Indian Petrochemicals Corporation Limited., Methyl benzoate (>95%) received from DMT Vadodara 391 346, India plant (IPCL) was distilled and used. NbOP04 is a commercial sample (CBMM, Brazil). SO/IZr02 Received 31 July 1997; accepted 20 February 1998 was prepared from ZrOCI2.8H20 first converting the salt into Zr(OH)4 by precipitating with NH40H, In a catalytic reaction under vapour phase, methyl washing with water and drying at 100°C for 24 h. benzoate and ammonia can be converted into benzoni• 30 mL of 1 N H2S04 was then used to treat 2 g of trile as a major and benzamides as minor products over dried Zr(OH)4 followed by drying and calcining at NbOP04 and few other solid acid catalysts. 500°C. SAPO-5 was prepared by the usual hydro• thermal crystallization of a mixture of hydrated Synthesis of nitriles is an important catalytic and alumina, silica gel and phosphoric acid using industrial process 1.2. They are produced in high triethylamine as templating agent. Formation of yield by vapour phase catalytic ammoxidation of the product was monitored by GC (Shimadzu 0lefins3, alkanes4 and aromatics5 using multi metal 15A) analysis on OV -17 column with Flame Ioni• containing oxides.
    [Show full text]
  • PAH and Fullerene Ions and Ion/Molecule Reactions in Interstellar and Circumstellar Chemistry
    a".Rev. 1992, 92, 1487-1508 1487 PAH and Fullerene Ions and Ion/Molecule Reactions in Interstellar and Circumstellar Chemistry Diethard K. Bohme Deparrment of chermshy and Cenire lor Research in Earth and Space Science, York Unlversky, North Yo&, Ontarb, Canada M3J 1P3 Received Februaty 24, 1992 (Revised Manuscript Received August 11, 1992 ) Contents I. Introductlon 1487 11. Thermochemical Propertles of PAH and 1488 Fullerene Ions A. Recombination Energies 1488 6. Proton Affinities 1489 C. Hydrogen-Atom Affinities 1490 111. Reactions of Ions with PAH and Fullerene 1490 Molecules A. Reactions wlth Atomic Ions 1490 B. Reactions with Molecular Ions 1493 IV. Reactions of PAH and Fullerene Ions 1495 A. Recombination with Electrons and Negative 1495 Ions Diethard Kurt Bohme received his early education In Germany and 6. Reactions wkh Atoms 1498 Canada. He first specialized in chemistryat McGill University where C. Reactions with Molecules 1497 he received his Ph.D. in Physical Chemistry in 1965. After V. Synthesis of PAH and Fullerene Ions and 1500 postdoctoral fellowships in the Physics Department at University Molecules by IonlMolecule Reactions College, London, andthe Aeronomy Laboratoryat the Environmental Science Services Administration in Boulder. CO, he joined York A. Condensation of Carbon Chains 1500 University where he is now Professor of Chemistry, HIS early 6. Growth of Polyhedral Carbon Ions 1501 research interests included ionospheric chemistry. the physlcal- C. Growth of Closed-Shell Polyhedral Carbon 1501 organic chemistry of ions including fundamental aspects of proton- transfer and nucleophilic displacement reactions. and flame-ion Ions chemistry. Currently his research is directed to general aspects VI.
    [Show full text]
  • Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives George Schoendorff Iowa State University
    Chemistry Publications Chemistry 7-2009 Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives George Schoendorff Iowa State University Theresa Lynn Windus Iowa State University, [email protected] Wibe A. de Jong Pacific oN rthwest National Laboratory Follow this and additional works at: http://lib.dr.iastate.edu/chem_pubs Part of the Chemistry Commons The ompc lete bibliographic information for this item can be found at http://lib.dr.iastate.edu/ chem_pubs/920. For information on how to cite this item, please visit http://lib.dr.iastate.edu/ howtocite.html. This Article is brought to you for free and open access by the Chemistry at Iowa State University Digital Repository. It has been accepted for inclusion in Chemistry Publications by an authorized administrator of Iowa State University Digital Repository. For more information, please contact [email protected]. Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives Abstract The oorc dination of nitrile (acetonitrile, propionitrile, and benzonitrile) and carbonyl (formaldehyde, acetaldehyde, and acetone) ligands to the uranyl dication (UO22+) has been examined using density functional theory (DFT) utilizing relativistic effective core potentials (RECPs). Complexes containing up to six ligands have been modeled in the gas phase for all ligands except formaldehyde, for which no minimum could be found. A comparison of relative binding energies indicates that 5-coordinate complexes are predominant, while 6-coordinate complexes involving propionitrile and acetone ligands might be possible. Additionally, the relative binding energy and the weakening of the uranyl bond is related to the size of the ligand, and in general, nitriles bind more strongly to uranyl than carbonyls.
    [Show full text]
  • A Slow, Continuous Beam of Cold Benzonitrile
    PCCP View Article Online PAPER View Journal A slow, continuous beam of cold benzonitrile Cite this: DOI: 10.1039/c4cp03818e David Patterson* and John M. Doyle A cold, continuous, high flux beam of benzonitrile has been created via buffer gas cooling. The beam has a typical forward velocity of 67 Æ 5msÀ1, a velocity spread of Æ30 m sÀ1 and a typical flux of 1015 molecules sÀ1,measuredvia microwave spectroscopy. This beam represents the slowest demonstrated Received 26th August 2014, forward velocity for any cold beam of medium sized (45 atoms) polyatomic molecules produced to date, Accepted 30th December 2014 demonstrating a new source for high resolution spectroscopy. The expected resolution of a spectrometer DOI: 10.1039/c4cp03818e based on such beams exceeds current instrument-limited resolution by almost an order of magnitude. This source also provides an attractive starting point for further spatial manipulation of such molecules, including www.rsc.org/pccp eventual trapping. 1. Introduction starting point for further manipulation and trapping.15–18 The source could also be used without further manipulation for Cold molecules are rich quantum structures with a variety of molecular spectroscopy of unprecedented resolution. potential applications, such as fundamental physics tests1 and quantum information processing.2,3 Cooling and internal state control of polyatomics lags far behind that of diatomics, which 2. Experimental are now routinely manipulated at the single quantum state 4 A diagram of our apparatus is shown in Fig. 1. The approach is level. Full quantum control of larger, polyatomic molecules similar to earlier buffer gas cooled atomic and molecular would open up experimental arenas inaccessible with cold beams,19 but with significant modifications to the molecule diatomic molecules for both technical and fundamental reasons.
    [Show full text]